bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)

C20H28N2O8Pt — CID 53463867

IUPACbis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)
SMILESCC(=O)C1=C([O-])C(C)OC1=O.CC(=O)C1=C([O-])C(C)OC1=O.NC1CCCCC1N.[Pt+2]
InChIInChI=1S/2C7H8O4.C6H14N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h2*4,9H,1-2H3;5-6H,1-4,7-8H2;/q;;;+2/p-2
InChIKeyJSEUNYAKBKVVLC-UHFFFAOYSA-L
MW619.53 g/mol
LogP-1.52
Rot. Bonds2

About bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)

bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+) (PubChem CID 53463867) has the molecular formula C20H28N2O8Pt and a molecular weight of 619.53 g/mol. Its IUPAC name is bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+).

Molecular Properties

Compound Namebis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)
PubChem CID53463867
Molecular FormulaC20H28N2O8Pt
Molecular Weight619.53 g/mol
Exact Mass619.15
IUPAC Namebis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)
SMILESCC(=O)C1=C([O-])C(C)OC1=O.CC(=O)C1=C([O-])C(C)OC1=O.NC1CCCCC1N.[Pt+2]
InChIInChI=1S/2C7H8O4.C6H14N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h2*4,9H,1-2H3;5-6H,1-4,7-8H2;/q;;;+2/p-2
InChIKeyJSEUNYAKBKVVLC-UHFFFAOYSA-L
XLogP-1.52
TPSA184.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.53
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)?
The IUPAC name of bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+) (CID 53463867) is bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+).
What is the SMILES notation for bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)?
The canonical SMILES for bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+) is CC(=O)C1=C([O-])C(C)OC1=O.CC(=O)C1=C([O-])C(C)OC1=O.NC1CCCCC1N.[Pt+2].
What is the InChIKey of bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)?
The InChIKey is JSEUNYAKBKVVLC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O4.C6H14N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h2*4,9H,1-2H3;5-6H,1-4,7-8H2;/q;;;+2/p-2.
What are the key properties of bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)?
bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+) has a molecular weight of 619.53 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+) is sourced from PubChem (CID 53463867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).